1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine

C20H20N2O2 — CID 19351985

IUPAC1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1cccc(Nc2ccccc2Nc2cccc(OC)c2)c1
InChIInChI=1S/C20H20N2O2/c1-23-17-9-5-7-15(13-17)21-19-11-3-4-12-20(19)22-16-8-6-10-18(14-16)24-2/h3-14,21-22H,1-2H3
InChIKeyOFJWIKXUEPWRJZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.19
Rot. Bonds6

About 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine

1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine (PubChem CID 19351985) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
PubChem CID19351985
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1cccc(Nc2ccccc2Nc2cccc(OC)c2)c1
InChIInChI=1S/C20H20N2O2/c1-23-17-9-5-7-15(13-17)21-19-11-3-4-12-20(19)22-16-8-6-10-18(14-16)24-2/h3-14,21-22H,1-2H3
InChIKeyOFJWIKXUEPWRJZ-UHFFFAOYSA-N
XLogP5.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
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1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine (CID 19351985) is 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine is COc1cccc(Nc2ccccc2Nc2cccc(OC)c2)c1.
What is the InChIKey of 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine?
The InChIKey is OFJWIKXUEPWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-17-9-5-7-15(13-17)21-19-11-3-4-12-20(19)22-16-8-6-10-18(14-16)24-2/h3-14,21-22H,1-2H3.
What are the key properties of 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine?
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine has a molecular weight of 320.39 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 19351985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).